1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one

C18H28N2O2 — CID 1246194

IUPAC1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
SMILESCCOc1ccccc1N1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C18H28N2O2/c1-5-22-16-9-7-6-8-15(16)19-10-12-20(13-11-19)17(21)14-18(2,3)4/h6-9H,5,10-14H2,1-4H3
InChIKeyKTGBZJSHZFMSOS-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.17
Rot. Bonds4

About 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one

1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 1246194) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID1246194
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
SMILESCCOc1ccccc1N1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C18H28N2O2/c1-5-22-16-9-7-6-8-15(16)19-10-12-20(13-11-19)17(21)14-18(2,3)4/h6-9H,5,10-14H2,1-4H3
InChIKeyKTGBZJSHZFMSOS-UHFFFAOYSA-N
XLogP3.17
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Ethoxyphenyl)piperazine
CID 83357
8-(2-(4-(2-Methoxyphenyl)-1-piperazinyl)ethyl)-8-azaspiro(4.5)decane-7,9-dione
CID 2419
Bmy-7378
CID 210172
1-[2-(Propan-2-yloxy)phenyl]piperazine
CID 10944016
Rwj-69736
CID 9866614
1-(2-Methoxyphenyl)-4-propylpiperazine
CID 410747
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboxamide
CID 9819571
Acetamide, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-
CID 55421
1-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-2,5-pyrrolidinedione
CID 3994476
Rwj-38063
CID 9887378
Rwj-68157
CID 9888164
1-Butyl-4-(2-methoxy-phenyl)-piperazine
CID 10354670

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one (CID 1246194) is 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one is CCOc1ccccc1N1CCN(C(=O)CC(C)(C)C)CC1.
What is the InChIKey of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is KTGBZJSHZFMSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-22-16-9-7-6-8-15(16)19-10-12-20(13-11-19)17(21)14-18(2,3)4/h6-9H,5,10-14H2,1-4H3.
What are the key properties of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 304.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 1246194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).